(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene

C15H11ClF2OS — CID 70315702

IUPAC(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc(F)c2c1OCC[C@H]2Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2OS/c16-9-1-3-10(4-2-9)20-13-7-8-19-15-12(18)6-5-11(17)14(13)15/h1-6,13H,7-8H2/t13-/m1/s1
InChIKeyCCFKKCAUJPAWQR-CYBMUJFWSA-N
MW312.77 g/mol
LogP5.23
Rot. Bonds2

About (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene

(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 70315702) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID70315702
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc(F)c2c1OCC[C@H]2Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2OS/c16-9-1-3-10(4-2-9)20-13-7-8-19-15-12(18)6-5-11(17)14(13)15/h1-6,13H,7-8H2/t13-/m1/s1
InChIKeyCCFKKCAUJPAWQR-CYBMUJFWSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.77
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sch-900229
CID 25164607
4-(4-Chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
CID 24875617
4-(4-Chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
CID 24875895
(6aR,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
CID 24876170
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-4-(2-ethylsulfonylethyl)-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164609
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-propylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164811
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-propan-2-ylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164812
[(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 46884828
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
CID 46884829
(2R,4S)-4-(4-chlorophenyl)sulfonyl-2,4-diethyl-5,8-difluoro-2,3-dihydrochromene
CID 46884826
(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-(methoxymethyl)-4-methyl-2,3-dihydrochromene
CID 46884830
(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene
CID 46884863

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene (CID 70315702) is (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene is Fc1ccc(F)c2c1OCC[C@H]2Sc1ccc(Cl)cc1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is CCFKKCAUJPAWQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c16-9-1-3-10(4-2-9)20-13-7-8-19-15-12(18)6-5-11(17)14(13)15/h1-6,13H,7-8H2/t13-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene?
(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 312.77 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 70315702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).